4-[bis(4-fluorophenyl)methyl]-N-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-4-ium-1-carboxamide Formula: C25H22F3N4OS+ MolecularWeight: 483.52859

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H21F3N4OS/c26-18-5-1-16(2-6-18)23(17-3-7-19(27)8-4-17)31-11-13-32(14-12-31)25(33)30-24-29-21-10-9-20(28)15-22(21)34-24/h1-10,15,23H,11-14H2,(H,29,30,33)/p+1